Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKIGVCGPVGSGKTALIEALTRHMSKDYDMAVITNDIYTKEDAEFMCKNSVM---PRDRIIGVETGGCPHTAIREDASMNLEAVEEMHGRFPNLELLLIESGGDNLSATFNPELADFTIFVIDVAEGDKIPR-----KGGPGITRSDLLVINKIDLAPYVGADLKVMERDS-KKMRGEKPFIFTNIRAKEGLDDVIAWIKRNALLED
3IEV Chain:A ((11-182))
-GYVAIVGKPNVGKSTLLNNLLGTK-----VSIISPKAGTTRMRVL----GVKNIPNEAQIIFLDTPGIYEPKKSD-------VLGHSMVEI----------------AKQSLEEADVILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKN-VLPLIDEIHKKHPELTEIVPISALKGANLDELVKTILKYLPEGE
General information:
TITO was launched using:
RESULT:
Template:
3IEV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53293 for 1246 contacts (-42.8/contact) +
2D Compatibility (PS) -17545 + (NN) -5724 + (LL) 1320
1D Compatibility (HY) -5600 + (ID) 1600
Total energy: -82442.0 ( -66.17 by residue)
QMean score : 0.441
(partial model without unconserved sides chains):
PDB file :
Tito_3IEV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IEV-query.scw
PDB file :
Tito_Scwrl_3IEV.pdb
: